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Home> Encyclopedia > Hot Product Listed 2   > 2-Propenamide,N-(2-hydroxyethyl)-3-[(R)-methylsulfinyl]-, (2E)-
1754-62-7 structure

2-Propenamide,N-(2-hydroxyethyl)-3-[(R)-methylsulfinyl]-, (2E)-

CAS No.:1754-62-7
EINECS(EC#): 218-171-7
Molecular Weight:162.1852
Molecular Formula:C14H21NO2 (isomer)
Names and Identifiers
Synonyms

(R)-(+)-trans-N-(2-Hydroxyethyl)-3-(methylsulfinyl)-2-propenamide 2-Propenamide,N-(2-hydroxyethyl)-3-(methylsulfinyl)-, [R-(E)]- Entadamide C

Inchi
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChkey
CCRCUPLGCSFEDV-BQYQJAHWSA-N
Canonical Smiles
COC(=O)C=CC1=CC=CC=C1
Isomers Smiles
COC(=O)/C=C/C1=CC=CC=C1
Properties
Density
0.916
Melting Point
34-38 ºC
Boiling Point
460.9°C at 760 mmHg
Vapour
0.0112mmHg at 25°C
Refractive Index
1.558
Flash Point
290.9°C
Safety and Handling
Safety Statements
S22;S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:162.1852g/mol
  • Molecular Formula:C14H21NO2
  • XLogP3-AA:2.6
  • Exact Mass:162.06808
  • Monoisotopic Mass:162.06808
  • Complexity:167
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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